9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine

C59H36N2OS — CID 164794838

IUPAC9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc1
InChIInChI=1S/C59H36N2OS/c1-2-16-38(17-3-1)60(39-28-31-44-43-19-5-9-25-52(43)61(53(44)34-39)41-29-32-46-45-20-6-11-27-56(45)63-57(46)36-41)40-30-33-50-55(35-40)62-54-26-10-8-23-49(54)59(50)48-22-7-4-18-42(48)47-21-12-14-37-15-13-24-51(59)58(37)47/h1-36H
InChIKeyIBTGNJPFPHQFIH-UHFFFAOYSA-N
MW821.02 g/mol
LogP16.24
Rot. Bonds4

About 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine

9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (PubChem CID 164794838) has the molecular formula C59H36N2OS and a molecular weight of 821.02 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
PubChem CID164794838
Molecular FormulaC59H36N2OS
Molecular Weight821.02 g/mol
Exact Mass820.25
IUPAC Name9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc1
InChIInChI=1S/C59H36N2OS/c1-2-16-38(17-3-1)60(39-28-31-44-43-19-5-9-25-52(43)61(53(44)34-39)41-29-32-46-45-20-6-11-27-56(45)63-57(46)36-41)40-30-33-50-55(35-40)62-54-26-10-8-23-49(54)59(50)48-22-7-4-18-42(48)47-21-12-14-37-15-13-24-51(59)58(37)47/h1-36H
InChIKeyIBTGNJPFPHQFIH-UHFFFAOYSA-N
XLogP16.24
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794089
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 164794771
N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 165049631
9-dibenzothiophen-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-phenylcarbazol-3-amine
CID 164794428
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794408
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164793872
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164966921
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
CID 164965781

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The IUPAC name of 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (CID 164794838) is 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The canonical SMILES for 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The InChIKey is IBTGNJPFPHQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS/c1-2-16-38(17-3-1)60(39-28-31-44-43-19-5-9-25-52(43)61(53(44)34-39)41-29-32-46-45-20-6-11-27-56(45)63-57(46)36-41)40-30-33-50-55(35-40)62-54-26-10-8-23-49(54)59(50)48-22-7-4-18-42(48)47-21-12-14-37-15-13-24-51(59)58(37)47/h1-36H.
What are the key properties of 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine has a molecular weight of 821.02 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 164794838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).